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[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methyl (E)-hex-2-enoate
SpectraBase Compound ID 5dzwzqZMkYZ
InChI InChI=1S/C21H19F13O2/c1-2-3-4-5-15(35)36-12-14-8-6-13(7-9-14)10-11-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h4-9H,2-3,10-12H2,1H3/b5-4+
InChIKey WOVGWXSVZFOVNR-SNAWJCMRSA-N
Mol Weight 550.36 g/mol
Molecular Formula C21H19F13O2
Exact Mass 550.117746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZEG5GawP1B
Name [4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methyl (E)-hex-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F13O2
InChI InChI=1S/C21H19F13O2/c1-2-3-4-5-15(35)36-12-14-8-6-13(7-9-14)10-11-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h4-9H,2-3,10-12H2,1H3/b5-4+
InChIKey WOVGWXSVZFOVNR-SNAWJCMRSA-N
Molecular Weight 550.360 g/mol
SMILES C(C(C(C(CCc1ccc(cc1)COC(\C=C\CCC)=O)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-000j-9300720000-0d8d9483437f8b485cfe
Source of Spectrum KC-57-5250-5
Synonyms [4-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]phenyl]methyl (E)-hex-2-enoate (E)-2-hexenoic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methyl ester
Wiley ID 1624592